| SpectraBase Spectrum ID |
KStqo6SnvHm |
| Name |
Diethylmalonic acid, 2-chloro-5-methylphenyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.191087174 u |
| Formula |
C21H31ClO4 |
| InChI |
InChI=1S/C21H31ClO4/c1-5-8-9-10-11-14-25-19(23)21(6-2,7-3)20(24)26-18-15-16(4)12-13-17(18)22/h12-13,15H,5-11,14H2,1-4H3 |
| InChIKey |
PWFZCTAHSIVNMU-UHFFFAOYSA-N |
| Molecular Weight |
382.928 g/mol |
| SMILES |
CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC |
